5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile

C22H18N4O2 — CID 24866677

IUPAC5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-20-7-6-14(10-21(20)28-2)17-13-24-12-15(11-23)22(17)26-19-5-3-4-18-16(19)8-9-25-18/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyALLMHFJXFWBPDH-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.86
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile

5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile (PubChem CID 24866677) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile
PubChem CID24866677
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-20-7-6-14(10-21(20)28-2)17-13-24-12-15(11-23)22(17)26-19-5-3-4-18-16(19)8-9-25-18/h3-10,12-13,25H,1-2H3,(H,24,26)
InChIKeyALLMHFJXFWBPDH-UHFFFAOYSA-N
XLogP4.86
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Oxypertine
CID 4640
Indole, 5-methoxy-3-(4-piperidylmethyl)-
CID 19027
2-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 3564783
2-(6-methoxy-1H-indol-3-yl)acetonitrile
CID 785362
2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile
CID 252139
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-[(3-Aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328848
4-{[3-(Dimethylamino)phenyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328849
6,7-Dimethoxy-4-[(3-nitrophenyl)amino]quinoline-3-carbonitrile
CID 5328850
4-(3-Hydroxyphenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile (CID 24866677) is 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile is COc1ccc(-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile?
The InChIKey is ALLMHFJXFWBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-27-20-7-6-14(10-21(20)28-2)17-13-24-12-15(11-23)22(17)26-19-5-3-4-18-16(19)8-9-25-18/h3-10,12-13,25H,1-2H3,(H,24,26).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile?
5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(1H-indol-4-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 24866677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).